smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)N[C@H](C)c1ccccc1 ZINC000216786433 568467360 /nfs/dbraw/zinc/46/73/60/568467360.db2.gz VGNOIBYKGJROQI-MRXNPFEDSA-N 1 2 417.531 2.122 40 70 HEIBLO Cc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CC[NH+](C)CC3)ccc2C)cc1 ZINC000216861709 568468412 /nfs/dbraw/zinc/46/84/12/568468412.db2.gz FCXSCYOCFSTUBA-UHFFFAOYSA-N 1 2 401.532 2.170 40 70 HEIBLO Cc1ccc(C(=O)NCc2ccc(F)cc2)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000216859111 568468468 /nfs/dbraw/zinc/46/84/68/568468468.db2.gz ABKKHAHMYBNMAO-UHFFFAOYSA-N 1 2 405.495 2.000 40 70 HEIBLO Cc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)NCc1ccc(F)cc1 ZINC000216864999 568468593 /nfs/dbraw/zinc/46/85/93/568468593.db2.gz AUJHVOZJJWVGJU-UHFFFAOYSA-N 1 2 405.495 2.000 40 70 HEIBLO COc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000216854763 568468301 /nfs/dbraw/zinc/46/83/01/568468301.db2.gz NFGKXVXSSGEVEZ-UHFFFAOYSA-N 1 2 403.504 2.192 40 70 HEIBLO Cc1ccc(C(=O)NCCCOC2CCCC2)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000216859963 568468518 /nfs/dbraw/zinc/46/85/18/568468518.db2.gz BWSUKCAPOSSMLG-UHFFFAOYSA-N 1 2 423.579 2.010 40 70 HEIBLO C[NH+]1CCN(S(=O)(=O)c2cccc(C(=O)NCCCOC3CCCCC3)c2)CC1 ZINC000216868212 568468782 /nfs/dbraw/zinc/46/87/82/568468782.db2.gz QVYUDXCRRXWDQH-UHFFFAOYSA-N 1 2 423.579 2.092 40 70 HEIBLO CNS(=O)(=O)c1cc(C(=O)Nc2cccc(Cl)c2)ccc1N1CC[NH+](C)CC1 ZINC000216790584 568467430 /nfs/dbraw/zinc/46/74/30/568467430.db2.gz VZHNWRQBZLTSNH-UHFFFAOYSA-N 1 2 422.938 2.252 40 70 HEIBLO Cc1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000216857327 568468449 /nfs/dbraw/zinc/46/84/49/568468449.db2.gz GYMORZVNCAWMKZ-UHFFFAOYSA-N 1 2 409.458 2.462 40 70 HEIBLO Cc1ccc(CNC(=O)c2ccc(CS(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000216883220 568469174 /nfs/dbraw/zinc/46/91/74/568469174.db2.gz WGOFWMNKDPXAPZ-UHFFFAOYSA-N 1 2 401.532 2.002 40 70 HEIBLO C[NH+]1CCN(S(=O)(=O)Cc2ccc(C(=O)Nc3ccc(F)c(F)c3)cc2)CC1 ZINC000216885799 568469186 /nfs/dbraw/zinc/46/91/86/568469186.db2.gz XGUXIUYEWGBSRA-UHFFFAOYSA-N 1 2 409.458 2.294 40 70 HEIBLO COc1ccc(C(=O)Nc2ccc(C)cc2)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000216783893 568467213 /nfs/dbraw/zinc/46/72/13/568467213.db2.gz NEXIQGYQROWIGI-UHFFFAOYSA-N 1 2 403.504 2.192 40 70 HEIBLO COc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)N[C@@H](C)c1ccccc1 ZINC000216786391 568467357 /nfs/dbraw/zinc/46/73/57/568467357.db2.gz VGNOIBYKGJROQI-INIZCTEOSA-N 1 2 417.531 2.122 40 70 HEIBLO COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CC[NH+](C)CC3)ccc2C)cc1 ZINC000216861041 568468463 /nfs/dbraw/zinc/46/84/63/568468463.db2.gz ASFSQBITWYSSGQ-UHFFFAOYSA-N 1 2 403.504 2.192 40 70 HEIBLO Cc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)Nc1ccc(F)cc1F ZINC000216862490 568468589 /nfs/dbraw/zinc/46/85/89/568468589.db2.gz ULOUJISFBZGDEG-UHFFFAOYSA-N 1 2 409.458 2.462 40 70 HEIBLO CNS(=O)(=O)c1cc(C(=O)Nc2cc(C)cc(C)c2)ccc1N1CC[NH+](C)CC1 ZINC000216790253 568467416 /nfs/dbraw/zinc/46/74/16/568467416.db2.gz ZAHRZVWWVVELAT-UHFFFAOYSA-N 1 2 416.547 2.216 40 70 HEIBLO Cc1ccc(CN(C)C(=O)c2ccc(CS(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000216889256 568469139 /nfs/dbraw/zinc/46/91/39/568469139.db2.gz MBSZMBGFAZEPGT-UHFFFAOYSA-N 1 2 415.559 2.344 40 70 HEIBLO COc1ccc(C(=O)Nc2ccc(F)cc2)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000216784301 568467172 /nfs/dbraw/zinc/46/71/72/568467172.db2.gz MUSCBMRBHXNYTK-UHFFFAOYSA-N 1 2 407.467 2.023 40 70 HEIBLO COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1C ZINC000216842792 568468048 /nfs/dbraw/zinc/46/80/48/568468048.db2.gz ZJMOSHLAUDBPFG-UHFFFAOYSA-N 1 2 403.504 2.192 40 70 HEIBLO COc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CC[NH+](C)CC2)ccc1C ZINC000216861398 568468533 /nfs/dbraw/zinc/46/85/33/568468533.db2.gz WROBKCUKWDMRSN-UHFFFAOYSA-N 1 2 403.504 2.192 40 70 HEIBLO Cc1cccc(CNC(=O)c2cc(S(=O)(=O)N3CC[NH+](C)CC3)ccc2C)c1 ZINC000216864623 568468603 /nfs/dbraw/zinc/46/86/03/568468603.db2.gz CQTPQCOVWXVHDG-UHFFFAOYSA-N 1 2 401.532 2.170 40 70 HEIBLO Cc1ccc(C(=O)NCCCc2ccccc2)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000216858366 568468471 /nfs/dbraw/zinc/46/84/71/568468471.db2.gz OKJVTFZGZFGFAD-UHFFFAOYSA-N 1 2 415.559 2.294 40 70 HEIBLO Cc1ccccc1CNC(=O)c1ccc(CS(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000216883163 568469011 /nfs/dbraw/zinc/46/90/11/568469011.db2.gz XLVPOVMZHNVTDE-UHFFFAOYSA-N 1 2 401.532 2.002 40 70 HEIBLO COc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1C ZINC000216843060 568468063 /nfs/dbraw/zinc/46/80/63/568468063.db2.gz NIZYIHSNGDXQDU-UHFFFAOYSA-N 1 2 403.504 2.192 40 70 HEIBLO CC(=O)c1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)c1 ZINC000216856846 568468416 /nfs/dbraw/zinc/46/84/16/568468416.db2.gz LHMKETNXSIAVLH-UHFFFAOYSA-N 1 2 415.515 2.386 40 70 HEIBLO C[NH+]1CCN(S(=O)(=O)c2cc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3C4)ccc2Cl)CC1 ZINC000216869935 568468740 /nfs/dbraw/zinc/46/87/40/568468740.db2.gz UIBQWJVRDVVIIS-JJRVBVJISA-N 1 2 411.955 2.195 40 70 HEIBLO C[NH+]1CCN(S(=O)(=O)Cc2ccc(C(=O)Nc3ccc(F)cc3F)cc2)CC1 ZINC000216884630 568469167 /nfs/dbraw/zinc/46/91/67/568469167.db2.gz WDQHOSXMZXYUKT-UHFFFAOYSA-N 1 2 409.458 2.294 40 70 HEIBLO Cc1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)cc1 ZINC000216855225 568468316 /nfs/dbraw/zinc/46/83/16/568468316.db2.gz BDWYJBUCUHDFJH-UHFFFAOYSA-N 1 2 401.532 2.170 40 70 HEIBLO C[C@@H](NC(=O)c1ccc(CS(=O)(=O)N2CC[NH+](C)CC2)cc1)c1ccc(F)cc1 ZINC000216888501 568469067 /nfs/dbraw/zinc/46/90/67/568469067.db2.gz ZMABGZQVFGRRDW-MRXNPFEDSA-N 1 2 419.522 2.394 40 70 HEIBLO COc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000216783364 568467153 /nfs/dbraw/zinc/46/71/53/568467153.db2.gz ZDFDIORMQJWIOC-MRXNPFEDSA-N 1 2 417.531 2.122 40 70 HEIBLO COc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)Nc1ccc(C)cc1 ZINC000216786956 568467362 /nfs/dbraw/zinc/46/73/62/568467362.db2.gz KYLITVUSSMAIBR-UHFFFAOYSA-N 1 2 403.504 2.192 40 70 HEIBLO Cc1ccc(C(=O)Nc2ccc(F)cc2F)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000216856324 568468295 /nfs/dbraw/zinc/46/82/95/568468295.db2.gz SHDLAEBTMYCNMW-UHFFFAOYSA-N 1 2 409.458 2.462 40 70 HEIBLO Cc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)NCCCOC1CCCC1 ZINC000216865843 568468662 /nfs/dbraw/zinc/46/86/62/568468662.db2.gz WUDUDGKZGGWDMW-UHFFFAOYSA-N 1 2 423.579 2.010 40 70 HEIBLO O=C(c1ccccc1)[C@H]1[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]2[C@H]2CCC[N@@H+]21 ZINC000217590227 568472905 /nfs/dbraw/zinc/47/29/05/568472905.db2.gz AAKGTZXZVGGWGH-MBPVOVBZSA-N 1 2 418.449 2.293 40 70 HEIBLO O=C(c1ccccc1)[C@H]1[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000217590227 568472906 /nfs/dbraw/zinc/47/29/06/568472906.db2.gz AAKGTZXZVGGWGH-MBPVOVBZSA-N 1 2 418.449 2.293 40 70 HEIBLO Cc1ccccc1CNC(=O)c1ccc(C)c(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000216855188 568468256 /nfs/dbraw/zinc/46/82/56/568468256.db2.gz DKOTWENPBFJJOO-UHFFFAOYSA-N 1 2 401.532 2.170 40 70 HEIBLO C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCc3ccccc3)c2)CC1 ZINC000216874120 568468810 /nfs/dbraw/zinc/46/88/10/568468810.db2.gz LBQXYZHBZXPCSK-UHFFFAOYSA-N 1 2 407.923 2.206 40 70 HEIBLO CCOc1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000216882107 568469007 /nfs/dbraw/zinc/46/90/07/568469007.db2.gz ZFVFVGCAAJTNMY-UHFFFAOYSA-N 1 2 417.531 2.415 40 70 HEIBLO Cc1cccc(CNC(=O)c2ccc(C)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)c1 ZINC000216858617 568468453 /nfs/dbraw/zinc/46/84/53/568468453.db2.gz APHUQHMEWHWLIT-UHFFFAOYSA-N 1 2 401.532 2.170 40 70 HEIBLO C[NH+]1CCN(S(=O)(=O)Cc2ccc(C(=O)NCc3ccc(Cl)cc3)cc2)CC1 ZINC000216883103 568468937 /nfs/dbraw/zinc/46/89/37/568468937.db2.gz UADUKIWKJNWDQV-UHFFFAOYSA-N 1 2 421.950 2.347 40 70 HEIBLO COc1ccc(C)cc1NC(=O)c1ccc(CS(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000216883655 568469149 /nfs/dbraw/zinc/46/91/49/568469149.db2.gz KAPIZJBVEMNCOV-UHFFFAOYSA-N 1 2 417.531 2.333 40 70 HEIBLO CCCSc1nsc(NC(=O)C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)n1 ZINC000217437140 568472090 /nfs/dbraw/zinc/47/20/90/568472090.db2.gz YXBAUFHPLOOFNQ-QWHCGFSZSA-N 1 2 405.549 2.260 40 70 HEIBLO CCCSc1nsc(NC(=O)C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)n1 ZINC000217437140 568472091 /nfs/dbraw/zinc/47/20/91/568472091.db2.gz YXBAUFHPLOOFNQ-QWHCGFSZSA-N 1 2 405.549 2.260 40 70 HEIBLO COc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000216783310 568467201 /nfs/dbraw/zinc/46/72/01/568467201.db2.gz ZDFDIORMQJWIOC-INIZCTEOSA-N 1 2 417.531 2.122 40 70 HEIBLO COc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)Nc1ccc(F)cc1 ZINC000216787334 568467343 /nfs/dbraw/zinc/46/73/43/568467343.db2.gz YQZXJAQVJHOJGS-UHFFFAOYSA-N 1 2 407.467 2.023 40 70 HEIBLO CNS(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)cc2)ccc1N1CC[NH+](C)CC1 ZINC000216790645 568467458 /nfs/dbraw/zinc/46/74/58/568467458.db2.gz JJFBOZVCOFVKJE-UHFFFAOYSA-N 1 2 422.938 2.252 40 70 HEIBLO C[C@H](NC(=O)c1ccc(CS(=O)(=O)N2CC[NH+](C)CC2)cc1)c1ccc(F)cc1 ZINC000216888542 568469155 /nfs/dbraw/zinc/46/91/55/568469155.db2.gz ZMABGZQVFGRRDW-INIZCTEOSA-N 1 2 419.522 2.394 40 70 HEIBLO C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCCc3ccccc3)c2)CC1 ZINC000216874360 568468736 /nfs/dbraw/zinc/46/87/36/568468736.db2.gz ZNMCJEXONSPVBK-UHFFFAOYSA-N 1 2 421.950 2.249 40 70 HEIBLO CCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CC[NH+](C)CC3)ccc2OC)cc1 ZINC000216787150 568467333 /nfs/dbraw/zinc/46/73/33/568467333.db2.gz XWDJKDRLELBMRU-UHFFFAOYSA-N 1 2 417.531 2.446 40 70 HEIBLO COc1cccc(NC(=O)c2cc(S(=O)(=O)N3CC[NH+](C)CC3)ccc2C)c1 ZINC000216861004 568468422 /nfs/dbraw/zinc/46/84/22/568468422.db2.gz NCCVSVNZQHGRPU-UHFFFAOYSA-N 1 2 403.504 2.192 40 70 HEIBLO COc1ccccc1NC(=O)c1ccc(CS(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000216882665 568469018 /nfs/dbraw/zinc/46/90/18/568469018.db2.gz NAKWMSBCUGRCIZ-UHFFFAOYSA-N 1 2 403.504 2.025 40 70 HEIBLO C[NH+]1CCN(S(=O)(=O)Cc2ccc(C(=O)NCc3ccccc3Cl)cc2)CC1 ZINC000216885047 568469047 /nfs/dbraw/zinc/46/90/47/568469047.db2.gz IIFURLKUSVOFFA-UHFFFAOYSA-N 1 2 421.950 2.347 40 70 HEIBLO CCOc1cccc(NC(=O)c2ccc(CS(=O)(=O)N3CC[NH+](C)CC3)cc2)c1 ZINC000216887562 568469161 /nfs/dbraw/zinc/46/91/61/568469161.db2.gz VFORZQDUISUOQY-UHFFFAOYSA-N 1 2 417.531 2.415 40 70 HEIBLO C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3C4)c2)CC1 ZINC000216876305 568468918 /nfs/dbraw/zinc/46/89/18/568468918.db2.gz VCBZRYJMUITWHM-PMUMKWKESA-N 1 2 411.955 2.195 40 70 HEIBLO Cc1nnn([C@@]23C[C@@H]4C[C@@H](C[C@@](C(=O)N5CCN(c6cccc[nH+]6)CC5)(C4)C2)C3)n1 ZINC000217485578 568472345 /nfs/dbraw/zinc/47/23/45/568472345.db2.gz ZMOGAAXDCIPUTM-MTIDIVMFSA-N 1 2 407.522 2.021 40 70 HEIBLO COc1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000216882038 568469001 /nfs/dbraw/zinc/46/90/01/568469001.db2.gz LSPCNRVFSWOFBW-UHFFFAOYSA-N 1 2 403.504 2.025 40 70 HEIBLO COc1ccc(F)cc1S(=O)(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000216843157 568468038 /nfs/dbraw/zinc/46/80/38/568468038.db2.gz RBMLXZGSXCJBIM-UHFFFAOYSA-N 1 2 407.467 2.023 40 70 HEIBLO Cc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)Nc1ccc(F)c(F)c1 ZINC000216863427 568468591 /nfs/dbraw/zinc/46/85/91/568468591.db2.gz JNGZAHFMROWRCI-UHFFFAOYSA-N 1 2 409.458 2.462 40 70 HEIBLO Cc1cccc(CCCNC(=O)c2cccc(S(=O)(=O)N3CC[NH+](C)CC3)c2)c1 ZINC000216867520 568468651 /nfs/dbraw/zinc/46/86/51/568468651.db2.gz RZGGXROXHSYWNR-UHFFFAOYSA-N 1 2 415.559 2.294 40 70 HEIBLO C[NH+]1CCN(S(=O)(=O)c2cc(C(=O)NCCc3ccccc3)ccc2Cl)CC1 ZINC000216868961 568468780 /nfs/dbraw/zinc/46/87/80/568468780.db2.gz FHGFROFAKHRJOQ-UHFFFAOYSA-N 1 2 421.950 2.249 40 70 HEIBLO CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(C)cc2)ccc1N1CC[NH+](C)CC1 ZINC000216793331 568467543 /nfs/dbraw/zinc/46/75/43/568467543.db2.gz JHQAWTLXCSSOOS-UHFFFAOYSA-N 1 2 416.547 2.297 40 70 HEIBLO C[NH+]1CCN(S(=O)(=O)c2cccc(C(=O)NCCCc3ccc(F)cc3)c2)CC1 ZINC000216867190 568468682 /nfs/dbraw/zinc/46/86/82/568468682.db2.gz BJZLGDOSRSRMNO-UHFFFAOYSA-N 1 2 419.522 2.124 40 70 HEIBLO COc1cccc(NC(=O)c2ccc(CS(=O)(=O)N3CC[NH+](C)CC3)cc2)c1 ZINC000216881972 568468910 /nfs/dbraw/zinc/46/89/10/568468910.db2.gz YDHNGTYASDIGKQ-UHFFFAOYSA-N 1 2 403.504 2.025 40 70 HEIBLO C[NH+]1CCN(S(=O)(=O)Cc2ccc(C(=O)NCCC3=CCCCC3)cc2)CC1 ZINC000216884394 568469095 /nfs/dbraw/zinc/46/90/95/568469095.db2.gz GZJLSSHMPFWBGK-UHFFFAOYSA-N 1 2 405.564 2.384 40 70 HEIBLO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000216844651 568468249 /nfs/dbraw/zinc/46/82/49/568468249.db2.gz XJGRPAPKVCJMNG-UHFFFAOYSA-N 1 2 407.467 2.023 40 70 HEIBLO CCc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)cc1 ZINC000216784085 568467205 /nfs/dbraw/zinc/46/72/05/568467205.db2.gz SNXRGDUFROZGJH-UHFFFAOYSA-N 1 2 417.531 2.446 40 70 HEIBLO CC(=O)c1cccc(NC(=O)c2ccc(CS(=O)(=O)N3CC[NH+](C)CC3)cc2)c1 ZINC000216885281 568469077 /nfs/dbraw/zinc/46/90/77/568469077.db2.gz ZPHNNYKOUPGLDE-UHFFFAOYSA-N 1 2 415.515 2.219 40 70 HEIBLO CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(F)cc2)ccc1N1CC[NH+](C)CC1 ZINC000216793659 568467514 /nfs/dbraw/zinc/46/75/14/568467514.db2.gz QZLOYHOPLOWFCS-UHFFFAOYSA-N 1 2 420.510 2.128 40 70 HEIBLO CNS(=O)(=O)c1cc(C(=O)Nc2ccc(C)c(C)c2)ccc1N1CC[NH+](C)CC1 ZINC000216790193 568467394 /nfs/dbraw/zinc/46/73/94/568467394.db2.gz LKINYKMOTCTYGW-UHFFFAOYSA-N 1 2 416.547 2.216 40 70 HEIBLO Cc1ccc(CCCNC(=O)c2cccc(S(=O)(=O)N3CC[NH+](C)CC3)c2)cc1 ZINC000216867490 568468697 /nfs/dbraw/zinc/46/86/97/568468697.db2.gz MRNWDEFYSISDSZ-UHFFFAOYSA-N 1 2 415.559 2.294 40 70 HEIBLO Cc1cccc(CNC(=O)c2ccc(CS(=O)(=O)N3CC[NH+](C)CC3)cc2)c1 ZINC000216887680 568469163 /nfs/dbraw/zinc/46/91/63/568469163.db2.gz FZCBGDCHHOMSAJ-UHFFFAOYSA-N 1 2 401.532 2.002 40 70 HEIBLO Cc1ccccc1CNC(=O)c1cc(S(=O)(=O)N2CC[NH+](C)CC2)ccc1C ZINC000216861681 568468482 /nfs/dbraw/zinc/46/84/82/568468482.db2.gz PZDJOWUKPXBHKK-UHFFFAOYSA-N 1 2 401.532 2.170 40 70 HEIBLO C[NH+]1CCN(S(=O)(=O)Cc2ccc(C(=O)NCCSC(C)(C)C)cc2)CC1 ZINC000216884299 568469059 /nfs/dbraw/zinc/46/90/59/568469059.db2.gz UVKGJVBKYCIONA-UHFFFAOYSA-N 1 2 413.609 2.025 40 70 HEIBLO CCc1ccc(NC(=O)c2ccc(N3CC[NH+](C)CC3)c(S(=O)(=O)NC)c2)cc1 ZINC000216790324 568467381 /nfs/dbraw/zinc/46/73/81/568467381.db2.gz GZSRNLACOAHGGN-UHFFFAOYSA-N 1 2 416.547 2.161 40 70 HEIBLO Cc1ccc(C(=O)N(C)Cc2ccccc2)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000216853827 568468293 /nfs/dbraw/zinc/46/82/93/568468293.db2.gz KMYAUBQRZQKCHD-UHFFFAOYSA-N 1 2 401.532 2.203 40 70 HEIBLO COc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)c1 ZINC000216854366 568468314 /nfs/dbraw/zinc/46/83/14/568468314.db2.gz LTOVWFRZVXELKZ-UHFFFAOYSA-N 1 2 403.504 2.192 40 70 HEIBLO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NS(=O)(=O)c1ccc(C)cc1 ZINC000216844551 568468347 /nfs/dbraw/zinc/46/83/47/568468347.db2.gz FNGNJANEIIKHQZ-UHFFFAOYSA-N 1 2 403.504 2.192 40 70 HEIBLO CC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CC[NH+](C)CC3)ccc2C)c1 ZINC000216862922 568468616 /nfs/dbraw/zinc/46/86/16/568468616.db2.gz FAJWIPCRUVBACE-UHFFFAOYSA-N 1 2 415.515 2.386 40 70 HEIBLO